Geometry & MOs

Info

ID:	441294
PubChem CID:	135233994
Reduced:	N5H37C51 (1)
Stoich.:	A5B37C51 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	262.61
Dipole, Da:	2.08
IP(EA), eV:	-7.8(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diethyl-5-(2-methylpropyl)-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C1CC(=CC=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=C(C=C(C=C5)C6=CC=C7C(C6)C8=CC=CC=C8N7C9=CC=CC=C9)C1=CC=CC=C14)C1=CC=CC=C1

DOS

IR

Vibrations